SCHEMBL5502802

SCHEMBL5502802

O=C1Cc2ncc(C(F)(F)F)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KIF11 P52732 3/20 0.40
TDP2 O95551 2/20 0.40
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
GRM2 Q14416 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27320685 0.85 MAPT (0.38) MAPTPOLBJUNNFKB1NFKB2
SCHEMBL10313887 0.85 KIF11 (0.47) MAPTJUNNFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL4137184 0.84 KIF11 (0.46) MAPTJUNNFKB1NFKB2RELA
SCHEMBL659190 0.77 AHR (0.37) GSK3AGSK3BCDK5CDK5R1
SCHEMBL4792891 0.74 TDP2 (0.38) MAPTPOLBJUNNFKB1NFKB2
SCHEMBL1190524 0.74 KIF11 (0.43) MAPTPOLBKIF11USP2GAA
SCHEMBL16563733 0.74 GRM2 (0.39) MAPTPOLBJUNNFKB1NFKB2
SCHEMBL660464 0.74 AHR (0.49) TDP2GSK3AGSK3BCDK5CDK5R1
SCHEMBL658962 0.74 AHR (0.53) MAPTGSK3AGSK3BCDK5CDK5R1
SCHEMBL659787 0.74 RAB9A (0.40) POLBGSK3AGSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO disclosed